SCHEMBL640941

SCHEMBL640941

CCCN1CCN([C@H]2CCN(C(=O)C(c3ccccc3)n3c(=O)n(S(=O)(=O)c4ccc(OCC(F)(F)F)cc4)c4ccc(C#N)cc43)C2)CC1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 5/20 0.34
HRH2 P25021 1/20 0.33
HRH1 P35367 1/20 0.33
LIPE Q05469 1/20 0.33
ELANE P08246 2/20 0.33
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 2/20 0.32
ACHE P22303 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
SLC6A9 P48067 1/20 0.32
KCNH2 Q12809 1/20 0.32
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CCL5 P13501 1/20 0.31
HTR6 P50406 1/20 0.31
KDM2B Q8NHM5 2/20 0.31
MGLL Q99685 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL640942 1.00 CCR5 (0.34) CCR5HRH2HRH1LIPEELANE
SCHEMBL640475 0.93 HRH2 (0.34) CCR5HRH2HRH1ALDH1A1KDM4E
SCHEMBL640474 0.93 HRH2 (0.34) CCR5HRH2HRH1ALDH1A1KDM4E
SCHEMBL640717 0.92 HRH2 (0.37) CCR5HRH2HRH1ALDH1A1KDM4E
SCHEMBL640716 0.92 HRH2 (0.37) CCR5HRH2HRH1ALDH1A1KDM4E
SCHEMBL641096 0.92 ALDH1A1 (0.40) CCR5HRH2HRH1ALDH1A1KDM4E
SCHEMBL641118 0.92 ALDH1A1 (0.40) CCR5HRH2HRH1ALDH1A1KDM4E
SCHEMBL641097 0.92 ALDH1A1 (0.40) CCR5HRH2HRH1ALDH1A1KDM4E
SCHEMBL640046 0.92 CCR5 (0.36) CCR5HRH2HRH1ALDH1A1KDM4E
SCHEMBL640047 0.92 CCR5 (0.36) CCR5HRH2HRH1ALDH1A1KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8791148-B2 Substituted benzimidazolone derivatives, medicaments comprising them and their use AbbVie Deutschland GmbH & Co. KG (DE) 2014-07-29 US disclosed
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2012-07-05 US disclosed
US-8119676-B2 Substituted benzimidazolone derivatives, medicaments comprising them and their use Abbott GmbH & Co. HG (DE) 2012-02-21 US disclosed
US-20100152168-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE ABBOTT GMBH & CO. KG (DE) 2010-06-17 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100152168-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A CCR5 3327/4885HRH2 73/4885HRH1 94/4885
US-20120172335-A1 SUBSTITUTED BENZIMIDAZOLONE DERIVATIVES, MEDICAMENTS COMPRISING THEM AND THEIR USE AVPR2, AVPR1B, AVPR1A CCR5 3327/4885HRH2 73/4885HRH1 94/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.